>compound Phytol,mixture of isomers_Phytol,mixture of isomers
#instrument UPLC Q-Tof Premier, Waters
>formula C20H40O
#smiles OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
#RECORD LC-ESI-QTOF_train_data/PR100055.txt
>charge 1
>ionization [M+H]+
>parentmass 297.3157

>collision 5-60
73.0474 196.1
178.9634 27.8
179.0002 32.67
191.0007 115.4
192.9803 83.87
205.0171 66.03
207.0312 91.04
248.988 275.9
265.0194 240.1
276.9309 39.19
281.0495 786.6
297.0785 30.98
299.0614 24.58

